SCHEMBL4573279

SCHEMBL4573279

ClN1Cc2ccccc2N=N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
ACHE P22303 6/20 0.41
BCHE P06276 3/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSD P07339 3/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CCR3 P51677 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4725456 0.75 SIGMAR1 (0.46) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL904823 0.75 SIGMAR1 (0.42) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL4725450 0.75 SIGMAR1 (0.42) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL7732342 0.75 SIGMAR1 (0.42) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL11347558 0.72 SIGMAR1 (0.43) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL7114310 0.69 SIGMAR1 (0.44) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL11479514 0.66 SIGMAR1 (0.35) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL21991687 0.66 PDE3B (0.36) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL11349402 0.66 PDE3B (0.36) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL11471311 0.65 CYP11B2 (0.35) SIGMAR1ACHEBCHEMEN1USP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217908-A1 Benzotriazine Oxides as Drugs Targeting Mycobacterium Tuberculosis SRI INTERNATIONAL (US) 2017-08-03 US disclosed
US-9663478-B2 Benzotriazine oxides as drugs targeting Mycobacterium tuberculosis SRI INTERNATIONAL (US) 2017-05-30 US disclosed
WO-2016170163-A1 SUBSTITUTED QUINOXALINES AND BENZOTRIAZINE P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2016-10-27 WO disclosed
EP-2800744-A1 BENZOTRIAZINE OXIDES AS DRUGS TARGETING MYCOBACTERIUM TUBERCULOSIS Sri International Inc. (US) 2014-11-12 EP disclosed
WO-2013086467-A1 BENZOTRIAZINE OXIDES AS DRUGS TARGETING MYCOBACTERIUM TUBERCULOSIS SRI INTERNATIONAL (US) 2013-06-13 WO disclosed
US-20130150369-A1 Benzotriazine Oxides as Drugs Targeting Mycobacterium Tuberculosis SRI INTERNATIONAL (US) 2013-06-13 US disclosed
WO-2008059259-A2 ANTICANCER COMPOUNDS WITH A BENZO ( 1, 2, 4 ) TRIAZIN-3YL-AMINE CORE SENTINEL ONCOLOGY LIMITED (GB) 2008-05-22 WO disclosed
WO-2008015429-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2008-02-07 WO disclosed
US-4368068-A PRE- AND POSTEMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170217908-A1 Benzotriazine Oxides as Drugs Targeting Mycobacterium Tuberculosis QDPR, TBCA, TBCD SIGMAR1 760/4885ACHE 3409/4885BCHE 2262/4885
US-20130150369-A1 Benzotriazine Oxides as Drugs Targeting Mycobacterium Tuberculosis QDPR, TBCA, TBCD SIGMAR1 760/4885ACHE 3409/4885BCHE 2262/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.